1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

C17H14N4OS2 — CID 7889534

IUPAC1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14N4OS2/c22-15(10-24-17-13-7-9-23-16(13)18-11-19-17)21-8-6-14(20-21)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2
InChIKeyHKTIPFMBVUXYJN-UHFFFAOYSA-N
MW354.46 g/mol
LogP3.42
Rot. Bonds4

About 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (PubChem CID 7889534) has the molecular formula C17H14N4OS2 and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.

Molecular Properties

Compound Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
PubChem CID7889534
Molecular FormulaC17H14N4OS2
Molecular Weight354.46 g/mol
Exact Mass354.06
IUPAC Name1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
SMILESO=C(CSc1ncnc2sccc12)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14N4OS2/c22-15(10-24-17-13-7-9-23-16(13)18-11-19-17)21-8-6-14(20-21)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2
InChIKeyHKTIPFMBVUXYJN-UHFFFAOYSA-N
XLogP3.42
TPSA58.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-quinazolin-4-ylsulfanylethanone
CID 9325672
3-methyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylthieno[2,3-d]pyrimidin-4-one
CID 31634836
1-(4-benzylpiperidin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707951
1-(3,4-dihydro-2H-quinolin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 2707962
1-piperazin-1-yl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 82147639
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]ethanone
CID 17399578
phenacyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7742490
1-(4-methylsulfonylpiperazin-1-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 17410554
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889522
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone
CID 7889521
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetate
CID 7735658
N-benzhydryl-N-methyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
CID 17480949

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The IUPAC name of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone (CID 7889534) is 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone.
What is the SMILES notation for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The canonical SMILES for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is O=C(CSc1ncnc2sccc12)N1CCC(c2ccccc2)=N1.
What is the InChIKey of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
The InChIKey is HKTIPFMBVUXYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS2/c22-15(10-24-17-13-7-9-23-16(13)18-11-19-17)21-8-6-14(20-21)12-4-2-1-3-5-12/h1-5,7,9,11H,6,8,10H2.
What are the key properties of 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone?
1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone has a molecular weight of 354.46 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-3,4-dihydropyrazol-2-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylethanone is sourced from PubChem (CID 7889534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).